SCHEMBL16028209

SCHEMBL16028209

CC(C)CCn1cnc2c1c(=O)n(CCCO)c(=O)n2C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 4/20 0.58
▸ PDE4B Q07343 3/20 0.58
▸ PDE4C Q08493 3/20 0.58
▸ PDE4D Q08499 3/20 0.58
▸ LMNA P02545 5/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ NFKB1 P19838 2/20 0.57
▸ ACHE P22303 2/20 0.57
▸ PMP22 Q01453 2/20 0.57
▸ ESR1 P03372 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ ADORA2B P29275 4/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ USP2 O75604 1/20 0.49
▸ TNF P01375 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ CNOT7 Q9UIV1 1/20 0.48
▸ TRPA1 O75762 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18399526 0.82 ADORA2B (0.68) LMNAMAPTADORA2BSMN1; SMN2RXFP1
SCHEMBL11610987 0.81 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL17619844 0.81 TRPA1 (0.74) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL9293614 0.80 ADORA2B (0.71) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL30171262 0.80 LMNA (0.47) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL9293292 0.80 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL8695792 0.80 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL8702218 0.80 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL8700216 0.80 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL11004837 0.79 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11958854-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2024-04-16 — — US disclosed
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 — — US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 — — US disclosed
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-24 — — US disclosed
US-10399982-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2019-09-03 — — US disclosed
US-20180244674-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-08-30 — — US disclosed
EP-2970303-B3 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2018-08-01 — — EP disclosed
US-9969736-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2018-05-15 — — US disclosed
US-20170305910-A1 Substituted Xanthines and Methods of Use Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-26 — — US disclosed
EP-2970303-B9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-09-20 — — EP disclosed
EP-2970303-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 — — EP disclosed
US-20160237089-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-08-18 — — US disclosed
US-9359359-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2016-06-07 — — US disclosed
US-20140275071-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11958854-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 PDE4A 615/4885PDE4B 583/4885PDE4C 411/4885
US-20180244674-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 PDE4A 615/4885PDE4B 583/4885PDE4C 411/4885
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 PDE4A 615/4885PDE4B 583/4885PDE4C 411/4885
US-20170305910-A1 Substituted Xanthines and Methods of Use Thereof TRPC5, TRPC7, TRPC4 PDE4A 615/4885PDE4B 583/4885PDE4C 411/4885
US-20140275071-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 PDE4A 615/4885PDE4B 583/4885PDE4C 411/4885
US-10399982-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 PDE4A 615/4885PDE4B 583/4885PDE4C 411/4885
US-20160237089-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 PDE4A 615/4885PDE4B 583/4885PDE4C 411/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 PDE4A 615/4885PDE4B 583/4885PDE4C 411/4885
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 PDE4A 615/4885PDE4B 583/4885PDE4C 411/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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